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Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'bernatowicz' and Initial = 'ms'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pepsin A


(Porcine)
BDBM50025532
PNG
(3-Hydroxy-6-methyl-4-[3-methyl-2-(2-methyl-butyryl...)
Show SMILES CCC(CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)NCCC(C)C
Show InChI InChI=1S/C27H52N4O5/c1-10-20(11-2)26(35)31-24(18(7)8)27(36)30-21(14-17(5)6)22(32)15-23(33)29-19(9)25(34)28-13-12-16(3)4/h16-22,24,32H,10-15H2,1-9H3,(H,28,34)(H,29,33)(H,30,36)(H,31,35)/t19-,21-,22-,24-/m0/s1
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0.180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025525
PNG
(4-[2-(2-Ethyl-butyrylamino)-3-methyl-butyrylamino]...)
Show SMILES CCC(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)NCCC(C)C
Show InChI InChI=1S/C26H50N4O5/c1-10-18(8)24(33)30-23(17(6)7)26(35)29-20(13-16(4)5)21(31)14-22(32)28-19(9)25(34)27-12-11-15(2)3/h15-21,23,31H,10-14H2,1-9H3,(H,27,34)(H,28,32)(H,29,35)(H,30,33)/t18?,19-,20-,21-,23-/m0/s1
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0.310n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025519
PNG
(4-[2-(2,2-Dimethyl-propionylamino)-3-methyl-butyry...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(C)C)C(C)C
Show InChI InChI=1S/C25H48N4O5/c1-14(2)10-11-26-24(33)18(9)27-21(31)13-20(30)19(12-15(3)4)28-25(34)22(16(5)6)29-23(32)17(7)8/h14-20,22,30H,10-13H2,1-9H3,(H,26,33)(H,27,31)(H,28,34)(H,29,32)/t18-,19-,20-,22-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50017485
PNG
(1N-[1-isopentylcarbamoyl-(1S)-ethyl]-4-[1-(1-amino...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19-,20-,21-,24-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028392
PNG
(4-[2-(3,3-Dimethyl-2-oxo-butylamino)-3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NCC(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C27H52N4O5/c1-16(2)11-12-28-25(35)19(7)30-23(34)14-21(32)20(13-17(3)4)31-26(36)24(18(5)6)29-15-22(33)27(8,9)10/h16-21,24,29,32H,11-15H2,1-10H3,(H,28,35)(H,30,34)(H,31,36)/t19-,20-,21-,24-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025530
PNG
(BDBM50028390 | CHEMBL166522 | CHEMBL419481 | [1-(1...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C
Show InChI InChI=1S/C25H48N4O6/c1-14(2)10-11-26-23(32)18(9)27-21(31)13-20(30)19(12-15(3)4)28-24(33)22(16(5)6)29-25(34)35-17(7)8/h14-20,22,30H,10-13H2,1-9H3,(H,26,32)(H,27,31)(H,28,33)(H,29,34)/t18-,19-,20-,22-/m0/s1
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8.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50028393
PNG
(CHEMBL348724 | {1-[1-(1-{1-Hydroxy-2-[1-(3-methyl-...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C31H59N5O7/c1-17(2)13-14-32-27(39)21(9)33-24(38)16-23(37)22(15-18(3)4)34-28(40)25(19(5)6)35-29(41)26(20(7)8)36-30(42)43-31(10,11)12/h17-23,25-26,37H,13-16H2,1-12H3,(H,32,39)(H,33,38)(H,34,40)(H,35,41)(H,36,42)/t21-,22-,23-,25-,26+/m0/s1
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM50025516
PNG
(BDBM50028395 | CHEMBL167093 | CHEMBL81941 | [1-(1-...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O6/c1-15(2)11-12-27-23(33)18(7)28-21(32)14-20(31)19(13-16(3)4)29-24(34)22(17(5)6)30-25(35)36-26(8,9)10/h15-20,22,31H,11-14H2,1-10H3,(H,27,33)(H,28,32)(H,29,34)(H,30,35)/t18-,19-,20-,22-/m0/s1
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170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of carboxyl protease (pepsin) inhibition


J Med Chem 25: 791-5 (1982)


Article DOI: 10.1021/jm00349a005
BindingDB Entry DOI: 10.7270/Q2C828BB
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022978
PNG
(CHEMBL264339 | Pro-His-Pro-Phe-His-Statine-Ile-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C54H75N13O9/c1-5-33(4)47(53(75)66-48(70)38(55)23-34-14-8-6-9-15-34)65-46(69)27-45(68)40(22-32(2)3)61-51(73)42(25-36-28-56-30-59-36)62-50(72)41(24-35-16-10-7-11-17-35)63-52(74)44-19-13-21-67(44)54(76)43(26-37-29-57-31-60-37)64-49(71)39-18-12-20-58-39/h6-11,14-17,28-33,38-45,47,58,68H,5,12-13,18-27,55H2,1-4H3,(H,56,59)(H,57,60)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,69)(H,66,70,75)/t33-,38-,39-,40?,41-,42-,43-,44-,45?,47-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from mongrel dogs


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022978
PNG
(CHEMBL264339 | Pro-His-Pro-Phe-His-Statine-Ile-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C54H75N13O9/c1-5-33(4)47(53(75)66-48(70)38(55)23-34-14-8-6-9-15-34)65-46(69)27-45(68)40(22-32(2)3)61-51(73)42(25-36-28-56-30-59-36)62-50(72)41(24-35-16-10-7-11-17-35)63-52(74)44-19-13-21-67(44)54(76)43(26-37-29-57-31-60-37)64-49(71)39-18-12-20-58-39/h6-11,14-17,28-33,38-45,47,58,68H,5,12-13,18-27,55H2,1-4H3,(H,56,59)(H,57,60)(H,61,73)(H,62,72)(H,63,74)(H,64,71)(H,65,69)(H,66,70,75)/t33-,38-,39-,40?,41-,42-,43-,44-,45?,47-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from cats


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054895
PNG
(2-[2-[2-[Acetyl-(3-propynoyl-phenyl)-amino]-3-(4-f...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)c1cccc(c1)C(=O)C#C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C48H64FN15O7/c1-5-40(66)31-9-6-10-34(26-31)64(28(4)65)39(25-30-13-17-32(49)18-14-30)45(71)63-38(24-29-15-19-33(20-16-29)59-48(55)56)44(70)62-37(23-27(2)3)43(69)61-36(12-8-22-58-47(53)54)42(68)60-35(41(50)67)11-7-21-57-46(51)52/h1,6,9-10,13-20,26-27,35-39H,7-8,11-12,21-25H2,2-4H3,(H2,50,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054899
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCN)C(N)=O
Show InChI InChI=1/C47H64FN13O7/c1-28(2)25-37(43(66)58-36(12-8-24-55-46(51)52)42(65)57-35(41(50)64)11-7-23-49)59-44(67)38(26-31-15-20-34(21-16-31)56-47(53)54)60-45(68)39(27-32-13-18-33(48)19-14-32)61(29(3)62)40(63)22-17-30-9-5-4-6-10-30/h4-6,9-10,13-22,28,35-39H,7-8,11-12,23-27,49H2,1-3H3,(H2,50,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H4,51,52,55)(H4,53,54,56)/b22-17+
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n/an/a 6.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054853
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C48H66FN15O7/c1-28(2)25-37(43(69)61-36(12-8-24-58-47(53)54)42(68)60-35(41(50)67)11-7-23-57-46(51)52)62-44(70)38(26-31-15-20-34(21-16-31)59-48(55)56)63-45(71)39(27-32-13-18-33(49)19-14-32)64(29(3)65)40(66)22-17-30-9-5-4-6-10-30/h4-6,9-10,13-22,28,35-39H,7-8,11-12,23-27H2,1-3H3,(H2,50,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)/b22-17+
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n/an/a 7.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054911
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C42H54FN11O6/c1-25(2)22-33(38(58)51-32(37(44)57)10-7-21-49-41(45)46)52-39(59)34(23-28-13-18-31(19-14-28)50-42(47)48)53-40(60)35(24-29-11-16-30(43)17-12-29)54(26(3)55)36(56)20-15-27-8-5-4-6-9-27/h4-6,8-9,11-20,25,32-35H,7,10,21-24H2,1-3H3,(H2,44,57)(H,51,58)(H,52,59)(H,53,60)(H4,45,46,49)(H4,47,48,50)/b20-15+
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n/an/a 7.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from mongrel dogs


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022977
PNG
(CHEMBL2371846 | Pro-His-Pro-Phe-His-Statine-Ile-Hi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C57H84N16O11/c1-5-34(4)49(55(81)70-44(24-37-28-60-31-64-37)52(78)66-40(57(83)84)15-9-10-18-58)72-48(75)26-47(74)41(21-33(2)3)67-53(79)43(23-36-27-59-30-63-36)68-51(77)42(22-35-13-7-6-8-14-35)69-54(80)46-17-12-20-73(46)56(82)45(25-38-29-61-32-65-38)71-50(76)39-16-11-19-62-39/h6-8,13-14,27-34,39-47,49,62,74H,5,9-12,15-26,58H2,1-4H3,(H,59,63)(H,60,64)(H,61,65)(H,66,78)(H,67,79)(H,68,77)(H,69,80)(H,70,81)(H,71,76)(H,72,75)(H,83,84)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from hypertensive humans


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054897
PNG
(2-[2-[2-[Acetyl-(3-propionyl-phenyl)-amino]-3-(4-f...)
Show SMILES CCC(=O)c1cccc(c1)N(C(Cc1ccc(F)cc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(N)=O)C(C)=O
Show InChI InChI=1/C48H68FN15O7/c1-5-40(66)31-9-6-10-34(26-31)64(28(4)65)39(25-30-13-17-32(49)18-14-30)45(71)63-38(24-29-15-19-33(20-16-29)59-48(55)56)44(70)62-37(23-27(2)3)43(69)61-36(12-8-22-58-47(53)54)42(68)60-35(41(50)67)11-7-21-57-46(51)52/h6,9-10,13-20,26-27,35-39H,5,7-8,11-12,21-25H2,1-4H3,(H2,50,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency on plasma renin obtained from mongrel dogs


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022000
PNG
(CHEMBL2371853 | Pro-His-Pro-Phe-His-Statine-Val-Ty...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H84N14O12/c1-34(2)24-43(49(75)29-50(76)72-51(35(3)4)57(82)70-45(26-37-17-19-40(74)20-18-37)53(78)66-42(59(84)85)14-8-9-21-60)67-55(80)46(27-38-30-61-32-64-38)68-54(79)44(25-36-12-6-5-7-13-36)69-56(81)48-16-11-23-73(48)58(83)47(28-39-31-62-33-65-39)71-52(77)41-15-10-22-63-41/h5-7,12-13,17-20,30-35,41-49,51,63,74-75H,8-11,14-16,21-29,60H2,1-4H3,(H,61,64)(H,62,65)(H,66,78)(H,67,80)(H,68,79)(H,69,81)(H,70,82)(H,71,77)(H,72,76)(H,84,85)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054927
PNG
((R)-2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-...)
Show SMILES CC(C)CC(NC(=O)[C@@H](CCCCNC(N)=N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C39H56FN11O6/c1-24(2)22-31(36(56)48-29(34(41)54)13-9-21-47-39(44)45)50-35(55)30(12-7-8-20-46-38(42)43)49-37(57)32(23-27-14-17-28(40)18-15-27)51(25(3)52)33(53)19-16-26-10-5-4-6-11-26/h4-6,10-11,14-19,24,29-32H,7-9,12-13,20-23H2,1-3H3,(H2,41,54)(H,48,56)(H,49,57)(H,50,55)(H4,42,43,46)(H4,44,45,47)/b19-16+/t29?,30-,31?,32?/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022988
PNG
(CHEMBL410352 | Pro-Trp(CHO)-Pro-Phe-His-Statine-Il...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C63H79N13O11/c1-5-38(4)56(62(86)69-47(57(64)81)27-40-32-74(35-77)51-20-11-9-17-43(40)51)73-55(80)30-54(79)46(25-37(2)3)68-60(84)49(29-42-31-65-34-67-42)70-59(83)48(26-39-15-7-6-8-16-39)71-61(85)53-22-14-24-76(53)63(87)50(72-58(82)45-19-13-23-66-45)28-41-33-75(36-78)52-21-12-10-18-44(41)52/h6-12,15-18,20-21,31-38,45-50,53-54,56,66,79H,5,13-14,19,22-30H2,1-4H3,(H2,64,81)(H,65,67)(H,68,84)(H,69,86)(H,70,83)(H,71,85)(H,72,82)(H,73,80)/t38-,45-,46?,47-,48-,49-,50-,53-,54?,56-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054854
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCN)C(N)=O
Show InChI InChI=1/C41H52FN9O6/c1-25(2)22-33(38(55)48-32(37(44)54)10-7-21-43)49-39(56)34(23-28-13-18-31(19-14-28)47-41(45)46)50-40(57)35(24-29-11-16-30(42)17-12-29)51(26(3)52)36(53)20-15-27-8-5-4-6-9-27/h4-6,8-9,11-20,25,32-35H,7,10,21-24,43H2,1-3H3,(H2,44,54)(H,48,55)(H,49,56)(H,50,57)(H4,45,46,47)/b20-15+
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054862
PNG
(4-(2-{2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-am...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCN)C(=O)CC(N)=O
Show InChI InChI=1/C49H66FN13O8/c1-29(2)25-38(45(69)60-37(12-8-24-57-48(53)54)44(68)59-36(11-7-23-51)41(65)28-42(52)66)61-46(70)39(26-32-15-20-35(21-16-32)58-49(55)56)62-47(71)40(27-33-13-18-34(50)19-14-33)63(30(3)64)43(67)22-17-31-9-5-4-6-10-31/h4-6,9-10,13-22,29,36-40H,7-8,11-12,23-28,51H2,1-3H3,(H2,52,66)(H,59,68)(H,60,69)(H,61,70)(H,62,71)(H4,53,54,57)(H4,55,56,58)/b22-17+
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054869
PNG
(1H-Indole-3-carboxylic acid [1-[1-[1-(1-carbamoyl-...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1c[nH]c2ccccc12)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C40H51FN12O5/c1-22(2)18-31(36(56)50-30(34(42)54)8-5-17-47-39(43)44)52-38(58)33(20-24-11-15-26(16-12-24)49-40(45)46)53-37(57)32(19-23-9-13-25(41)14-10-23)51-35(55)28-21-48-29-7-4-3-6-27(28)29/h3-4,6-7,9-16,21-22,30-33,48H,5,8,17-20H2,1-2H3,(H2,42,54)(H,50,56)(H,51,55)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,49)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50369180
PNG
(CHEMBL611206)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)CSc1ccccc1)C(=O)NC(CCCN=C(N)N)C(N)=O
Show InChI InChI=1/C41H54FN11O6S/c1-24(2)20-32(37(57)50-31(36(43)56)10-7-19-48-40(44)45)51-38(58)33(21-26-13-17-29(18-14-26)49-41(46)47)52-39(59)34(22-27-11-15-28(42)16-12-27)53(25(3)54)35(55)23-60-30-8-5-4-6-9-30/h4-6,8-9,11-18,24,31-34H,7,10,19-23H2,1-3H3,(H2,43,56)(H,50,57)(H,51,58)(H,52,59)(H4,44,45,48)(H4,46,47,49)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054903
PNG
(2-[2-[2-{Acetyl-[(E)-3-(4-fluoro-phenyl)-acryloyl]...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccc(F)cc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C48H65F2N15O7/c1-27(2)24-37(43(70)62-36(7-5-23-59-47(54)55)42(69)61-35(41(51)68)6-4-22-58-46(52)53)63-44(71)38(25-30-12-19-34(20-13-30)60-48(56)57)64-45(72)39(26-31-10-17-33(50)18-11-31)65(28(3)66)40(67)21-14-29-8-15-32(49)16-9-29/h8-21,27,35-39H,4-7,22-26H2,1-3H3,(H2,51,68)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/b21-14+
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022996
PNG
(CHEMBL412841 | acetyl-Pro-His-Pro-Phe-His-Statine-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C59H86N16O12/c1-6-35(4)51(57(84)71-45(25-39-29-62-32-65-39)53(80)67-41(59(86)87)16-10-11-19-60)73-50(78)27-49(77)42(22-34(2)3)68-54(81)44(24-38-28-61-31-64-38)69-52(79)43(23-37-14-8-7-9-15-37)70-56(83)48-18-13-21-75(48)58(85)46(26-40-30-63-33-66-40)72-55(82)47-17-12-20-74(47)36(5)76/h7-9,14-15,28-35,41-49,51,77H,6,10-13,16-27,60H2,1-5H3,(H,61,64)(H,62,65)(H,63,66)(H,67,80)(H,68,81)(H,69,79)(H,70,83)(H,71,84)(H,72,82)(H,73,78)(H,86,87)/t35-,41-,42?,43-,44-,45-,46-,47-,48-,49?,51-/m0/s1
PDB
MMDB

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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054872
PNG
(2-[2-[2-[Acetyl-(2-phenoxy-acetyl)-amino]-3-(4-flu...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)COc1ccccc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C41H54FN11O7/c1-24(2)20-32(37(57)50-31(36(43)56)10-7-19-48-40(44)45)51-38(58)33(21-26-13-17-29(18-14-26)49-41(46)47)52-39(59)34(22-27-11-15-28(42)16-12-27)53(25(3)54)35(55)23-60-30-8-5-4-6-9-30/h4-6,8-9,11-18,24,31-34H,7,10,19-23H2,1-3H3,(H2,43,56)(H,50,57)(H,51,58)(H,52,59)(H4,44,45,48)(H4,46,47,49)
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054853
PNG
(2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C48H66FN15O7/c1-28(2)25-37(43(69)61-36(12-8-24-58-47(53)54)42(68)60-35(41(50)67)11-7-23-57-46(51)52)62-44(70)38(26-31-15-20-34(21-16-31)59-48(55)56)63-45(71)39(27-32-13-18-33(49)19-14-32)64(29(3)65)40(66)22-17-30-9-5-4-6-10-30/h4-6,9-10,13-22,28,35-39H,7-8,11-12,23-27H2,1-3H3,(H2,50,67)(H,60,68)(H,61,69)(H,62,70)(H,63,71)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)/b22-17+
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit agonist (SFFLRR-NH2, at 3 uM) induced platelet aggregation by 50%


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054898
PNG
(5-(2-{2-[2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-am...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCN)C(=O)CCC(N)=O
Show InChI InChI=1/C50H68FN13O8/c1-30(2)27-39(46(70)61-38(12-8-26-58-49(54)55)45(69)60-37(11-7-25-52)42(66)22-23-43(53)67)62-47(71)40(28-33-15-20-36(21-16-33)59-50(56)57)63-48(72)41(29-34-13-18-35(51)19-14-34)64(31(3)65)44(68)24-17-32-9-5-4-6-10-32/h4-6,9-10,13-21,24,30,37-41H,7-8,11-12,22-23,25-29,52H2,1-3H3,(H2,53,67)(H,60,69)(H,61,70)(H,62,71)(H,63,72)(H4,54,55,58)(H4,56,57,59)/b24-17+
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054875
PNG
(2-[2-[2-{Acetyl-[(E)-3-(4-fluoro-phenyl)-acryloyl]...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccc(F)cc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C42H53F2N11O6/c1-24(2)21-33(38(59)52-32(37(45)58)5-4-20-50-41(46)47)53-39(60)34(22-27-10-17-31(18-11-27)51-42(48)49)54-40(61)35(23-28-8-15-30(44)16-9-28)55(25(3)56)36(57)19-12-26-6-13-29(43)14-7-26/h6-19,24,32-35H,4-5,20-23H2,1-3H3,(H2,45,58)(H,52,59)(H,53,60)(H,54,61)(H4,46,47,50)(H4,48,49,51)/b19-12+
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054874
PNG
(CHEMBL144616 | N-Acetyl-N-[1-[1-[1-(1-carbamoyl-4-...)
Show SMILES CC#Cc1ccccc1C(=O)N(C(Cc1ccc(F)cc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(N)=O)C(C)=O
Show InChI InChI=1/C43H54FN11O6/c1-5-9-29-10-6-7-11-32(29)41(61)55(26(4)56)36(24-28-13-17-30(44)18-14-28)40(60)54-35(23-27-15-19-31(20-16-27)51-43(48)49)39(59)53-34(22-25(2)3)38(58)52-33(37(45)57)12-8-21-50-42(46)47/h6-7,10-11,13-20,25,33-36H,8,12,21-24H2,1-4H3,(H2,45,57)(H,52,58)(H,53,59)(H,54,60)(H4,46,47,50)(H4,48,49,51)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054934
PNG
(2-[2-[2-[Acetyl-(3-acryloyl-thiophen-2-yl)-amino]-...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)c1sccc1C(=O)C=C)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C40H52FN11O6S/c1-5-33(54)28-16-18-59-38(28)52(23(4)53)32(21-25-8-12-26(41)13-9-25)37(58)51-31(20-24-10-14-27(15-11-24)48-40(45)46)36(57)50-30(19-22(2)3)35(56)49-29(34(42)55)7-6-17-47-39(43)44/h5,8-16,18,22,29-32H,1,6-7,17,19-21H2,2-4H3,(H2,42,55)(H,49,56)(H,50,57)(H,51,58)(H4,43,44,47)(H4,45,46,48)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054870
PNG
(1H-Indole-2-carboxylic acid [1-[1-[1-(1-carbamoyl-...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C40H51FN12O5/c1-22(2)18-30(35(55)50-29(34(42)54)8-5-17-47-39(43)44)51-36(56)32(20-24-11-15-27(16-12-24)48-40(45)46)52-37(57)31(19-23-9-13-26(41)14-10-23)53-38(58)33-21-25-6-3-4-7-28(25)49-33/h3-4,6-7,9-16,21-22,29-32,49H,5,8,17-20H2,1-2H3,(H2,42,54)(H,50,55)(H,51,56)(H,52,57)(H,53,58)(H4,43,44,47)(H4,45,46,48)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054868
PNG
(CHEMBL356767 | Thiophene-3-carboxylic acid [1-[1-[...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1ccsc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C36H48FN11O5S/c1-20(2)16-27(32(51)45-26(30(38)49)4-3-14-43-35(39)40)47-34(53)29(18-22-7-11-25(12-8-22)44-36(41)42)48-33(52)28(17-21-5-9-24(37)10-6-21)46-31(50)23-13-15-54-19-23/h5-13,15,19-20,26-29H,3-4,14,16-18H2,1-2H3,(H2,38,49)(H,45,51)(H,46,50)(H,47,53)(H,48,52)(H4,39,40,43)(H4,41,42,44)
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054930
PNG
((3E,5E)-Hepta-3,5-dienoic acid acetyl-[1-[1-[1-(1-...)
Show SMILES C\C=C\C=C\CC(=O)N(C(Cc1ccc(F)cc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(N)=O)C(C)=O
Show InChI InChI=1/C40H56FN11O6/c1-5-6-7-8-11-34(54)52(25(4)53)33(23-27-12-16-28(41)17-13-27)38(58)51-32(22-26-14-18-29(19-15-26)48-40(45)46)37(57)50-31(21-24(2)3)36(56)49-30(35(42)55)10-9-20-47-39(43)44/h5-8,12-19,24,30-33H,9-11,20-23H2,1-4H3,(H2,42,55)(H,49,56)(H,50,57)(H,51,58)(H4,43,44,47)(H4,45,46,48)/b6-5+,8-7+
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054912
PNG
(2-[2-(2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccccc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C42H55N11O6/c1-26(2)23-33(38(57)50-32(37(43)56)15-10-22-48-41(44)45)51-39(58)34(24-30-16-19-31(20-17-30)49-42(46)47)52-40(59)35(25-29-13-8-5-9-14-29)53(27(3)54)36(55)21-18-28-11-6-4-7-12-28/h4-9,11-14,16-21,26,32-35H,10,15,22-25H2,1-3H3,(H2,43,56)(H,50,57)(H,51,58)(H,52,59)(H4,44,45,48)(H4,46,47,49)/b21-18+
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054931
PNG
(4-(2-{2-[2-[2-{Acetyl-[(E)-3-(4-fluoro-phenyl)-acr...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccc(F)cc1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCN)C(=O)CC(N)=O
Show InChI InChI=1/C49H65F2N13O8/c1-28(2)24-38(45(70)61-37(7-5-23-58-48(54)55)44(69)60-36(6-4-22-52)41(66)27-42(53)67)62-46(71)39(25-31-12-19-35(20-13-31)59-49(56)57)63-47(72)40(26-32-10-17-34(51)18-11-32)64(29(3)65)43(68)21-14-30-8-15-33(50)16-9-30/h8-21,28,36-40H,4-7,22-27,52H2,1-3H3,(H2,53,67)(H,60,69)(H,61,70)(H,62,71)(H,63,72)(H4,54,55,58)(H4,56,57,59)/b21-14+
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054858
PNG
(CHEMBL144504 | Thiophene-2-carboxylic acid [1-[1-[...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cccs1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C36H48FN11O5S/c1-20(2)17-26(31(50)45-25(30(38)49)5-3-15-43-35(39)40)46-32(51)27(19-22-9-13-24(14-10-22)44-36(41)42)47-33(52)28(18-21-7-11-23(37)12-8-21)48-34(53)29-6-4-16-54-29/h4,6-14,16,20,25-28H,3,5,15,17-19H2,1-2H3,(H2,38,49)(H,45,50)(H,46,51)(H,47,52)(H,48,53)(H4,39,40,43)(H4,41,42,44)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054940
PNG
(CHEMBL177249 | N-[1-[1-[1-(1-Carbamoyl-4-guanidino...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C38H49ClFN11O5/c1-21(2)18-29(34(54)48-28(32(41)52)4-3-17-46-37(42)43)50-36(56)31(20-23-7-15-27(16-8-23)47-38(44)45)51-35(55)30(19-22-5-13-26(40)14-6-22)49-33(53)24-9-11-25(39)12-10-24/h5-16,21,28-31H,3-4,17-20H2,1-2H3,(H2,41,52)(H,48,54)(H,49,53)(H,50,56)(H,51,55)(H4,42,43,46)(H4,44,45,47)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022980
PNG
(CHEMBL2371845 | Pro-Trp(CHO)-Pro-Phe-His-4(S)amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(N)=O
Show InChI InChI=1S/C66H77N13O10/c1-3-41(2)58(65(88)72-51(59(67)82)32-44-36-77(39-80)55-26-12-10-22-47(44)55)76-61(84)50(24-14-21-42-17-6-4-7-18-42)71-63(86)53(34-46-35-68-38-70-46)73-62(85)52(31-43-19-8-5-9-20-43)74-64(87)57-28-16-30-79(57)66(89)54(75-60(83)49-25-15-29-69-49)33-45-37-78(40-81)56-27-13-11-23-48(45)56/h4-13,17-20,22-23,26-27,35-41,49-54,57-58,69H,3,14-16,21,24-25,28-34H2,1-2H3,(H2,67,82)(H,68,70)(H,71,86)(H,72,88)(H,73,85)(H,74,87)(H,75,83)(H,76,84)/t41-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405543
PNG
(CHEMBL2028952)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](CCCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1/C62H83N15O10/c1-38(2)53(61(86)74-49(31-41-23-25-44(78)26-24-41)57(82)70-45(54(64)79)19-9-10-27-63)76-56(81)47(20-11-18-39-14-5-3-6-15-39)71-59(84)50(32-42-34-65-36-68-42)72-58(83)48(30-40-16-7-4-8-17-40)73-60(85)52-22-13-29-77(52)62(87)51(33-43-35-66-37-69-43)75-55(80)46-21-12-28-67-46/h3-8,14-17,23-26,34-38,45-53,67,78H,9-13,18-22,27-33,63H2,1-2H3,(H2,64,79)(H,65,68)(H,66,69)(H,70,82)(H,71,84)(H,72,83)(H,73,85)(H,74,86)(H,75,80)(H,76,81)/t45-,46-,47+,48-,49-,50-,51-,52-,53-/s2
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n/an/a 27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054878
PNG
(2-{2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amino}-3...)
Show SMILES CC(C)CC(NC(=O)C(CCCNC(N)=N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C38H54FN11O6/c1-23(2)21-30(35(55)47-28(33(40)53)11-7-19-45-37(41)42)49-34(54)29(12-8-20-46-38(43)44)48-36(56)31(22-26-13-16-27(39)17-14-26)50(24(3)51)32(52)18-15-25-9-5-4-6-10-25/h4-6,9-10,13-18,23,28-31H,7-8,11-12,19-22H2,1-3H3,(H2,40,53)(H,47,55)(H,48,56)(H,49,54)(H4,41,42,45)(H4,43,44,46)/b18-15+
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054909
PNG
(2-{(R)-2-[2-{Acetyl-[(E)-(3-phenyl-acryloyl)]-amin...)
Show SMILES CC(C)CC(NC(=O)[C@@H](CCNC(N)=N)NC(=O)C(Cc1ccc(F)cc1)N(C(C)=O)C(=O)C=Cc1ccccc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C37H52FN11O6/c1-22(2)20-29(34(54)46-27(32(39)52)10-7-18-44-36(40)41)48-33(53)28(17-19-45-37(42)43)47-35(55)30(21-25-11-14-26(38)15-12-25)49(23(3)50)31(51)16-13-24-8-5-4-6-9-24/h4-6,8-9,11-16,22,27-30H,7,10,17-21H2,1-3H3,(H2,39,52)(H,46,54)(H,47,55)(H,48,53)(H4,40,41,44)(H4,42,43,45)/b16-13+/t27?,28-,29?,30?/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054945
PNG
(CHEMBL144594 | Furan-3-carboxylic acid [1-[1-[1-(1...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1ccoc1)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1/C36H48FN11O6/c1-20(2)16-27(32(51)45-26(30(38)49)4-3-14-43-35(39)40)47-34(53)29(18-22-7-11-25(12-8-22)44-36(41)42)48-33(52)28(17-21-5-9-24(37)10-6-21)46-31(50)23-13-15-54-19-23/h5-13,15,19-20,26-29H,3-4,14,16-18H2,1-2H3,(H2,38,49)(H,45,51)(H,46,50)(H,47,53)(H,48,52)(H4,39,40,43)(H4,41,42,44)
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022981
PNG
(CHEMBL412209 | Pro-his-Pro-Phe-Phe-Statine-Ile-Phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C57H77N11O9/c1-5-36(4)50(56(76)67-51(71)41(58)28-37-17-9-6-10-18-37)66-49(70)32-48(69)43(27-35(2)3)62-53(73)44(29-38-19-11-7-12-20-38)63-54(74)45(30-39-21-13-8-14-22-39)64-55(75)47-24-16-26-68(47)57(77)46(31-40-33-59-34-61-40)65-52(72)42-23-15-25-60-42/h6-14,17-22,33-36,41-48,50,60,69H,5,15-16,23-32,58H2,1-4H3,(H,59,61)(H,62,73)(H,63,74)(H,64,75)(H,65,72)(H,66,70)(H,67,71,76)/t36-,41-,42-,43?,44-,45-,46-,47-,48?,50-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50405544
PNG
(CHEMBL2028954)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(C)=O
Show InChI InChI=1/C61H84N16O9/c1-4-38(2)53(60(85)74-50(30-43-33-64-36-68-43)57(82)70-45(39(3)78)21-11-12-25-62)76-55(80)47(22-13-20-40-16-7-5-8-17-40)71-58(83)49(29-42-32-63-35-67-42)72-56(81)48(28-41-18-9-6-10-19-41)73-59(84)52-24-15-27-77(52)61(86)51(31-44-34-65-37-69-44)75-54(79)46-23-14-26-66-46/h5-10,16-19,32-38,45-53,66H,4,11-15,20-31,62H2,1-3H3,(H,63,67)(H,64,68)(H,65,69)(H,70,82)(H,71,83)(H,72,81)(H,73,84)(H,74,85)(H,75,79)(H,76,80)/t38-,45-,46-,47-,48-,49-,50-,51-,52-,53-/s2
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022991
PNG
(CHEMBL2371848 | Pro-His-Pro-Phe-His-4(S)amino-3(s)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C57H73N13O8/c1-3-36(2)49(56(77)65-44(50(58)71)28-38-18-9-5-10-19-38)69-52(73)43(23-13-22-37-16-7-4-8-17-37)64-54(75)46(30-40-32-59-34-62-40)66-53(74)45(29-39-20-11-6-12-21-39)67-55(76)48-25-15-27-70(48)57(78)47(31-41-33-60-35-63-41)68-51(72)42-24-14-26-61-42/h4-12,16-21,32-36,42-49,61H,3,13-15,22-31H2,1-2H3,(H2,58,71)(H,59,62)(H,60,63)(H,64,75)(H,65,77)(H,66,74)(H,67,76)(H,68,72)(H,69,73)/t36-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022993
PNG
(CHEMBL2371843 | Pro-Trp(CHO)-Pro-Trp(CHO)-His-4(S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C66H77N13O10/c1-3-41(2)58(65(88)72-51(59(67)82)31-43-19-8-5-9-20-43)76-61(84)50(24-14-21-42-17-6-4-7-18-42)71-63(86)53(34-46-35-68-38-70-46)73-62(85)52(32-44-36-77(39-80)55-26-12-10-22-47(44)55)74-64(87)57-28-16-30-79(57)66(89)54(75-60(83)49-25-15-29-69-49)33-45-37-78(40-81)56-27-13-11-23-48(45)56/h4-13,17-20,22-23,26-27,35-41,49-54,57-58,69H,3,14-16,21,24-25,28-34H2,1-2H3,(H2,67,82)(H,68,70)(H,71,86)(H,72,88)(H,73,85)(H,74,87)(H,75,83)(H,76,84)/t41-,49-,50-,51-,52-,53-,54-,57-,58-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human plasma renin


J Med Chem 30: 1287-95 (1987)


Article DOI: 10.1021/jm00391a005
BindingDB Entry DOI: 10.7270/Q24J0D3P
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054861
PNG
((E)-Non-3-enoic acid acetyl-[1-[1-[1-(1-carbamoyl-...)
Show SMILES CCCCC\C=C\CC(=O)N(C(Cc1ccc(F)cc1)C(=O)NC(Cc1ccc(cc1)N=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C(N)=O)C(C)=O
Show InChI InChI=1/C42H62FN11O6/c1-5-6-7-8-9-10-13-36(56)54(27(4)55)35(25-29-14-18-30(43)19-15-29)40(60)53-34(24-28-16-20-31(21-17-28)50-42(47)48)39(59)52-33(23-26(2)3)38(58)51-32(37(44)57)12-11-22-49-41(45)46/h9-10,14-21,26,32-35H,5-8,11-13,22-25H2,1-4H3,(H2,44,57)(H,51,58)(H,52,59)(H,53,60)(H4,45,46,49)(H4,47,48,50)/b10-9+
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n/an/a 35n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
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